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CAS 104700-98-3 (24E)-3-Oxo-5α-lanosta-7,9(11),24-triene-26-al molecular structure lightbox
CAS RN: 104700-98-3

(24E)-3-Oxo-5α-lanosta-7,9(11),24-triene-26-al

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS104700-98-3
  • Purity/Analytical Methods: >99.0%
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104700-98-3 / (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal

(+)-Ganoderal A | 3-Oxolanosta-7,9(11),24E-trien-26-al

Standard CAS: 104700-98-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104700-98-3
Multi CAS
Yes
Molecular Formula
C30H44O2
Molecular Weight
436.700000
Exact Mass
436.334131
SMILES
C[C@H](CC/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+/t21-,22-,25+,28-,29-,30+/m1/s1
InChIKey
RHNFCIPJKSUUES-SPFFTVLFSA-N
Synonyms
(+)-Ganoderal A 3-Oxolanosta-7,9(11),24E-trien-26-al

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
132.18
TPSA
34.14

LogP / Solubility

WLOGP
7.64
MLOGP
6.75
XLogP3
6.9
Consensus LogP
7.1
Log S (ESOL)
-7.03
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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