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CAS 1085273-49-9 23S-hydroxyl-11,15-dioxo-ganoderic acid DM molecular structure lightbox
CAS RN: 1085273-49-9

23S-hydroxyl-11,15-dioxo-ganoderic acid DM

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Batchno.20250530 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1085273-49-9
  • Purity/Analytical Methods: >99.0%
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1085273-49-9 / (E,4S,6R)-4-hydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oicacid | (E,4S,6R)-4-hydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid | 23S-hydroxy-11,15-dioxo-ganoderic acid DM

Standard CAS: 1085273-49-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1085273-49-9
Multi CAS
Yes
Molecular Formula
C30H40O7
Molecular Weight
512.600000
Exact Mass
512.277404
SMILES
C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-18,21,31H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,21+,28+,29-,30+/m1/s1
InChIKey
PILMPTUAXYPAME-KKYGLDRZSA-N
Synonyms
23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oicacid (E,4S,6R)-4-hydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid 23S-hydroxy-11,15-dioxo-ganoderic acid DM orb1684880 CHEMBL2203591

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
136.4
TPSA
125.81

LogP / Solubility

WLOGP
4.26
MLOGP
3.79
XLogP3
2.5
Consensus LogP
3.52
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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