Tenacissoside H

CAT: 0572-TRC-T018000-250MGSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T018000-250MGSize:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

191729-45-0

Synonyms

Tenacissimoside C; (3β,5α,11α,12β,14β,17α)-12-(Acetyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-β-D-arabino-hexopyranosyl]oxy]-8,14-epoxy-11-(2-methyl-1-oxobutoxy)pregnan-20-one;

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

O=C(C)O[C@H]1[C@@]2(C)[C@@](CC[C@H]2C(C)=O)(O3)[C@]43CC[C@@]5([H])C[C@@H](O[C@]6([H])O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@@H](O)C(OC)C7O)C(OC)C6)CC[C@]5(C)C4[C@@H]1OC(C(C)CC)=O

Molecular Formula

C42H66O14

Molecular Weight

794.97

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Npc225869

Tenacissoside H has been reported in Marsdenia tenacissima with data available.

CAS Number	191729-45-0
PubChem CID	75412560
IUPAC Name	[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] 2-methylbutanoate
Molecular Formula	C42H66O14
Molecular Weight	795.0
XLogP	3.3
Topological Polar Surface Area	178
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	13
Heavy Atom Count	56
Formal Charge	0
Complexity	1490

SMILES

CCC(C)C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@@]24[C@@]5(O4)CC[C@H]([C@]5([C@@H]1OC(=O)C)C)C(=O)C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O)OC)O)OC)C

InChI

InChI=1S/C42H66O14/c1-11-20(2)37(47)54-34-35-39(7)15-13-26(53-29-19-28(48-9)32(23(5)50-29)55-38-31(46)33(49-10)30(45)22(4)51-38)18-25(39)12-16-41(35)42(56-41)17-14-27(21(3)43)40(42,8)36(34)52-24(6)44/h20,22-23,25-36,38,45-46H,11-19H2,1-10H3/t20?,22-,23-,25+,26+,27+,28-,29+,30-,31-,32-,33-,34+,35-,36-,38+,39+,40+,41+,42-/m1/s1

InChIKey

HRSFCYYMBMDMOU-ZIAOJATMSA-N

Chemical Structure

2D Structure

CAS: 191729-45-0

CID: 75412560

Formula: C42H66O14

MW: 795.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	795.0
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	13
Exact Mass	794.44525677
Monoisotopic Mass	794.44525677
Topological Polar Surface Area	178 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1490
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TN8089-01	Tenacissoside A
TBW00462	Tenacissoside F
TN8122-01	Tenacissoside D
HY-N2102-01	Tenacissoside I
TN2369	Tenacissoside X
BUP00084-01	Tenacissoside H
N2128-20	Tenacissoside G
HY-N13123	Tenacissoside C
TN8107-01	Tenacissoside B

Tenacissoside H

Chemical Information

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