Cryptanoside A

CAT: 0926-YDA57081-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YDA57081-03Size:50 mg

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CAS Number

98570-81-1

Smiles

CC1C (C (CC (O1) OC2CCC3 (C (C2) CC4C5 (C3C (C (=O) C6 (C5 (CCC6C7=CC (=O) OC7) O) C) O) O4) C) OC) O

Molecular Formula

C30H42O10

Molecular Weight

562.6 g/mol

Controlled

Chemical Information

Cryptanoside A

Cryptanoside A has been reported in Cryptolepis dubia and Cryptolepis buchananii with data available.

CAS Number	98570-81-1
PubChem CID	134714948
IUPAC Name	(1R,3S,5S,7S,10S,11S,12S,14R,15R,18R)-12,18-dihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-13-one
Molecular Formula	C30H42O10
Molecular Weight	562.6
XLogP	0.3
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	40
Formal Charge	0
Complexity	1140

SMILES

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)C[C@H]4[C@@]5([C@@H]3[C@@H](C(=O)[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O4)C)OC)O

InChI

InChI=1S/C30H42O10/c1-14-23(32)19(36-4)12-22(38-14)39-17-5-7-27(2)16(10-17)11-20-30(40-20)25(27)24(33)26(34)28(3)18(6-8-29(28,30)35)15-9-21(31)37-13-15/h9,14,16-20,22-25,32-33,35H,5-8,10-13H2,1-4H3/t14-,16-,17-,18+,19-,20-,22-,23-,24-,25+,27-,28-,29+,30-/m0/s1

InChIKey

HGZQTHMHTBGLMG-TZUBOXRBSA-N

Chemical Structure

2D Structure

CAS: 98570-81-1

CID: 134714948

Formula: C30H42O10

MW: 562.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	562.6
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	562.27779753
Monoisotopic Mass	562.27779753
Topological Polar Surface Area	144 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1140
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19181785	Cryptanoside A

Cryptanoside A

Chemical Information

Alternative Products

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