Liquidambaric lactone 50mg

CAT: 0628-A14639-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A14639-50Size:50 mg

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CAS Number

185051-75-6

Chemical Information

Liquidambaric lactone

(1S,2S,4S,5R,6S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosane-9,25-dione has been reported in Liquidambar formosana with data available.

CAS Number	185051-75-6
PubChem CID	101335199
IUPAC Name	(1S,2S,4S,5R,6S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
Molecular Formula	C30H44O4
Molecular Weight	468.7
XLogP	6.1
Topological Polar Surface Area	55.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	34
Formal Charge	0
Complexity	1010

SMILES

C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2[C@H]4[C@H](O4)[C@@]56[C@]3(CC[C@@]7([C@H]5CC(CC7)(C)C)C(=O)O6)C)C)(C)C

InChI

InChI=1S/C30H44O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-18,20-22H,8-16H2,1-7H3/t17-,18+,20-,21+,22-,26-,27+,28-,29-,30+/m0/s1

InChIKey

ATQBPBZOVWXRTA-PNZWHSTPSA-N

Chemical Structure

2D Structure

CAS: 185051-75-6

CID: 101335199

Formula: C30H44O4

MW: 468.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	468.7
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	468.32395988
Monoisotopic Mass	468.32395988
Topological Polar Surface Area	55.9 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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300572-01	Liquidambaric Lactone
453785-01	Liquidambaric Lactone discontinued. See 300572
N2227-20	Liquidambaric acid
300571	Liquidambaric acid (Betulonic acid)
HY-135755-01	δ-Lactone
M36275-01	Rosuvastatin lactone
M26381-01	Pitavastatin lactone
M24189-01	Garcinia lactone
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DAA15373-01	Matsukaze-lactone

Liquidambaric lactone 50mg

Chemical Information

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